CID 59523

102571-35-7

Structural Information

Molecular Formula
C15H25N2OS
SMILES
CC[N+](C)(CC)CCSC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C15H24N2OS/c1-5-17(4,6-2)11-12-19-15-9-7-14(8-10-15)16-13(3)18/h7-10H,5-6,11-12H2,1-4H3/p+1
InChIKey
UTLYHTAGWAIBFV-UHFFFAOYSA-O
Compound name
2-(4-acetamidophenyl)sulfanylethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16876 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17604 163.9
[M+Na]+ 304.15798 168.6
[M-H]- 280.16148 168.5
[M+NH4]+ 299.20258 180.6
[M+K]+ 320.13192 159.9
[M+H-H2O]+ 264.16602 159.4
[M+HCOO]- 326.16696 181.9
[M+CH3COO]- 340.18261 201.4
[M+Na-2H]- 302.14343 168.5
[M]+ 281.16821 166.3
[M]- 281.16931 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.